2-amino-3-propanoyloxybutanedioic acid

C7H11NO6 — CID 10198152

IUPAC2-amino-3-propanoyloxybutanedioic acid
SMILESCCC(=O)OC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C7H11NO6/c1-2-3(9)14-5(7(12)13)4(8)6(10)11/h4-5H,2,8H2,1H3,(H,10,11)(H,12,13)
InChIKeyOBYSSGZMKIXWOR-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-3-propanoyloxybutanedioic acid

2-amino-3-propanoyloxybutanedioic acid (PubChem CID 10198152) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-amino-3-propanoyloxybutanedioic acid.

Molecular Properties

Compound Name2-amino-3-propanoyloxybutanedioic acid
PubChem CID10198152
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name2-amino-3-propanoyloxybutanedioic acid
SMILESCCC(=O)OC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C7H11NO6/c1-2-3(9)14-5(7(12)13)4(8)6(10)11/h4-5H,2,8H2,1H3,(H,10,11)(H,12,13)
InChIKeyOBYSSGZMKIXWOR-UHFFFAOYSA-N
XLogP-1.20
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-propanoyloxybutanedioic acid?
The IUPAC name of 2-amino-3-propanoyloxybutanedioic acid (CID 10198152) is 2-amino-3-propanoyloxybutanedioic acid.
What is the SMILES notation for 2-amino-3-propanoyloxybutanedioic acid?
The canonical SMILES for 2-amino-3-propanoyloxybutanedioic acid is CCC(=O)OC(C(=O)O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-propanoyloxybutanedioic acid?
The InChIKey is OBYSSGZMKIXWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c1-2-3(9)14-5(7(12)13)4(8)6(10)11/h4-5H,2,8H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-propanoyloxybutanedioic acid?
2-amino-3-propanoyloxybutanedioic acid has a molecular weight of 205.17 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-propanoyloxybutanedioic acid is sourced from PubChem (CID 10198152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).